title: Inversion of two-dimensional potentials from frequency-resolved spectroscopic data.
abstract: We report the first successful reconstruction of two-dimensional potential energy surfaces (PES) using the magnitudes and positions of a set of frequency-resolved fluorescence (or absorption) lines. The inversion proceeds by first extracting the phases of the transition-dipole matrix elements, yielding, together with the (ground) PES to (from) which emission (absorption) occurs, a point by point reconstruction of the two-dimensional excited state PES. The inversion procedure is highly accurate even for PES with multiple minima and many missing lines, with typical RMS errors <0.002 cm(-1) in the classically allowed region and <0.018 cm(-1) in the classically forbidden region.
authors.affiliation: Department of Chemistry, The University of British Columbia, Vancouver, Canada. xli3536@chem.ubc.ca
authors.forename: Xuan
authors.initials: X
authors.lastname: Li
authors.forename: Moshe
authors.initials: M
authors.lastname: Shapiro